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**Describe the bug**
When running the following command:
```bash
xtb mol.mol --ohess
```
a crash will occur in the section "Thermodynamic Functions" with the following error:
```bash
*** stack …
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Dear all,
now i probably might not use this for what it's meant to be used for, given that (from what i can gather) that this project is mainly targeting a problem in chemistry. (?)
I'm looking to…
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Dear Dr. Ragnar Bjornsson:
I am a PhD student in Theoretical Chemistry, and I would like to follow your program to provide an interface to OpenMM for our group's own QM program, but I don't want to w…
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Please include your name, title, affiliation, and area of expertise! We will consolidate signatures into the PDF.
Thank you for your support!
If you don't have Github, please sign the Google She…
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lets use coq unimath to decribe a room design using sheaves of rings in analytical geometry
That sounds like a very challenging and interesting task. Coq is a proof assistant that allows you to wri…
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https://arxiv.org/pdf/1702.08835.pdf
Abstract:
> In this paper, we propose gcForest, a decision tree ensemble approach with performance highly competitive to deep neural networks. In contrast to…
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Anecdotally, 'norway' seems to be popular. Even for example when looking at SA Exploration reports. Or here:-
This was from a proposal to do predictive analytics on a bunch of geoscience stuff with…
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Thanks for your hard work @pvvx !
For once, I'm not asking anything, but wanted to share some test I have made.
I am using LYWSD03MMC (HW rev: 1.5) sensors in very cold weather (as you do too) and t…
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I'd like to use `knitcitation` outside RStudio, specifically in the CRAN build and check process, using an .Rmd file. I have the vignetteEngine set to knitr. In the vignette I'm doing:
``` r setup,…